| Reaction Details |
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 | Report a problem with these data |
| Target | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial |
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| Ligand | BDBM50472676 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_160234 (CHEMBL769458) |
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| IC50 | 20±n/a nM |
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| Citation |  Bebernitz, GR; Aicher, TD; Stanton, JL; Gao, J; Shetty, SS; Knorr, DC; Strohschein, RJ; Tan, J; Brand, LJ; Liu, C; Wang, WH; Vinluan, CC; Kaplan, EL; Dragland, CJ; DelGrande, D; Islam, A; Lozito, RJ; Liu, X; Maniara, WM; Mann, WR Anilides of (R)-trifluoro-2-hydroxy-2-methylpropionic acid as inhibitors of pyruvate dehydrogenase kinase. J Med Chem43:2248-57 (2000) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial |
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| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial |
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| Synonyms: | Pyruvate dehydrogenase kinase |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 160230 |
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| Components: | This complex has 4 components. |
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| Component 1 |
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
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| Synonyms: | PDHK1 | PDK1 | PDK1_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 1 (PDK1) | Pyruvate dehydrogenase kinase isoform 1 |
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| Type: | Protein |
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| Mol. Mass.: | 49255.23 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q15118 |
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| Residue: | 436 |
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| Sequence: | MRLARLLRGAALAGPGPGLRAAGFSRSFSSDSGSSPASERGVPGQVDFYARFSPSPLSMK
QFLDFGSVNACEKTSFMFLRQELPVRLANIMKEISLLPDNLLRTPSVQLVQSWYIQSLQE
LLDFKDKSAEDAKAIYDFTDTVIRIRNRHNDVIPTMAQGVIEYKESFGVDPVTSQNVQYF
LDRFYMSRISIRMLLNQHSLLFGGKGKGSPSHRKHIGSINPNCNVLEVIKDGYENARRLC
DLYYINSPELELEELNAKSPGQPIQVVYVPSHLYHMVFELFKNAMRATMEHHANRGVYPP
IQVHVTLGNEDLTVKMSDRGGGVPLRKIDRLFNYMYSTAPRPRVETSRAVPLAGFGYGLP
ISRLYAQYFQGDLKLYSLEGYGTDAVIYIKALSTDSIERLPVYNKAAWKHYNTNHEADDW
CVPSREPKDMTTFRSA
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| Component 2 |
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial |
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| Synonyms: | PDHK4 | PDK4 | PDK4_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 4 (PDK4) | Pyruvate dehydrogenase kinase isoform 4 |
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| Type: | Enzyme |
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| Mol. Mass.: | 46469.71 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q16654 |
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| Residue: | 411 |
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| Sequence: | MKAARFVLRSAGSLNGAGLVPREVEHFSRYSPSPLSMKQLLDFGSENACERTSFAFLRQE
LPVRLANILKEIDILPTQLVNTSSVQLVKSWYIQSLMDLVEFHEKSPDDQKALSDFVDTL
IKVRNRHHNVVPTMAQGIIEYKDACTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIF
SDSQTGNPSHIGSIDPNCDVVAVVQDAFECSRMLCDQYYLSSPELKLTQVNGKFPDQPIH
IVYVPSHLHHMLFELFKNAMRATVEHQENQPSLTPIEVIVVLGKEDLTIKISDRGGGVPL
RIIDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSLSGYGTDA
IIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSREPKNLAKEVAM
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| Component 3 |
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial |
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| Synonyms: | PDHK2 | PDK2 | PDK2_HUMAN | Pyruvate dehydrogenase kinase 2 (PDK2) | Pyruvate dehydrogenase kinase isoenzyme 1 (PDK2) |
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| Type: | Enzyme |
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| Mol. Mass.: | 46153.78 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q15119 |
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| Residue: | 407 |
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| Sequence: | MRWVWALLKNASLAGAPKYIEHFSKFSPSPLSMKQFLDFGSSNACEKTSFTFLRQELPVR
LANIMKEINLLPDRVLSTPSVQLVQSWYVQSLLDIMEFLDKDPEDHRTLSQFTDALVTIR
NRHNDVVPTMAQGVLEYKDTYGDDPVSNQNIQYFLDRFYLSRISIRMLINQHTLIFDGST
NPAHPKHIGSIDPNCNVSEVVKDAYDMAKLLCDKYYMASPDLEIQEINAANSKQPIHMVY
VPSHLYHMLFELFKNAMRATVESHESSLILPPIKVMVALGEEDLSIKMSDRGGGVPLRKI
ERLFSYMYSTAPTPQPGTGGTPLAGFGYGLPISRLYAKYFQGDLQLFSMEGFGTDAVIYL
KALSTDSVERLPVYNKSAWRHYQTIQEAGDWCVPSTEPKNTSTYRVS
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| Component 4 |
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial |
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| Synonyms: | PDHK3 | PDK3 | PDK3_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 3 (PDK3) | Pyruvate dehydrogenase kinase isoform 3 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial |
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| Type: | Enzyme |
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| Mol. Mass.: | 46944.89 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q15120 |
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| Residue: | 406 |
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| Sequence: | MRLFRWLLKQPVPKQIERYSRFSPSPLSIKQFLDFGRDNACEKTSYMFLRKELPVRLANT
MREVNLLPDNLLNRPSVGLVQSWYMQSFLELLEYENKSPEDPQVLDNFLQVLIKVRNRHN
DVVPTMAQGVIEYKEKFGFDPFISTNIQYFLDRFYTNRISFRMLINQHTLLFGGDTNPVH
PKHIGSIDPTCNVADVVKDAYETAKMLCEQYYLVAPELEVEEFNAKAPDKPIQVVYVPSH
LFHMLFELFKNSMRATVELYEDRKEGYPAVKTLVTLGKEDLSIKISDLGGGVPLRKIDRL
FNYMYSTAPRPSLEPTRAAPLAGFGYGLPISRLYARYFQGDLKLYSMEGVGTDAVIYLKA
LSSESFERLPVFNKSAWRHYKTTPEADDWSNPSSEPRDASKYKAKQ
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| BDBM50472676 |
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| n/a |
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| Name | BDBM50472676 |
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| Synonyms: | CHEMBL72298 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H22ClF3N2O4S |
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| Mol. Mass. | 430.87 |
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| SMILES | CC(C)(C)CCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 |
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| Structure | 
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